CID 16076728

N-[2-(2-chlorophenyl)ethyl]-n'-[[(1s,2r,5s)-6,6-dimethylnorpinan-2-yl]methyl]ethane-1,2-diamine

Structural Information

Molecular Formula
C20H31ClN2
SMILES
CC1([C@H]2CC[C@H]([C@@H]1C2)CNCCNCCC3=CC=CC=C3Cl)C
InChI
InChI=1S/C20H31ClN2/c1-20(2)17-8-7-16(18(20)13-17)14-23-12-11-22-10-9-15-5-3-4-6-19(15)21/h3-6,16-18,22-23H,7-14H2,1-2H3/t16-,17-,18-/m0/s1
InChIKey
IXUIEEFXMJCGEB-BZSNNMDCSA-N
Compound name
N-[2-(2-chlorophenyl)ethyl]-N'-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.2176 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.22488 190.5
[M+Na]+ 357.20682 193.6
[M-H]- 333.21032 191.0
[M+NH4]+ 352.25142 204.5
[M+K]+ 373.18076 190.3
[M+H-H2O]+ 317.21486 179.4
[M+HCOO]- 379.21580 199.4
[M+CH3COO]- 393.23145 222.9
[M+Na-2H]- 355.19227 196.3
[M]+ 334.21705 202.8
[M]- 334.21815 202.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.